Crystallography Open Database

Information card for entry 7705746

Preview

Coordinates	7705746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H41.5 B Cl F4 N O0.25 P2 Ru
Calculated formula	C41 H41.5 B Cl F4 N O0.25 P2 Ru
Title of publication	Electrochemical, mechanistic, and DFT studies of amine derived diphosphines containing Ru(II)-cymene complexes with potent <i>in vitro</i> cytotoxic activity against HeLa and triple-negative breast cancer cells MDA-MB-231.
Authors of publication	da Silva, Juliana P.; Fuganti, Otávio; Kramer, M. Gabriela; Facchin, Gianella; Aquino, Lucas E. N.; Ellena, Javier; Back, Davi F.; Gondim, Ana C. S.; Sousa, Eduardo H. S.; Lopes, Luiz G. F.; Machado, Silvane; Guimarães, Ivelise D L; Wohnrath, Karen; de Araujo, Márcio P
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	45
Pages of publication	16498 - 16514
a	10.796 ± 0.0006 Å
b	12.236 ± 0.0007 Å
c	15.309 ± 0.0005 Å
α	96.965 ± 0.003°
β	91.221 ± 0.003°
γ	97.427 ± 0.002°
Cell volume	1989.15 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259387 (current)	2020-12-01	cif/ Adding structures of 7705745, 7705746 via cif-deposit CGI script.	7705746.cif